| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | Yes |
Popular Name: (2S)-2-phenyl-N1-[[(2R)-tetrahydropyran-2-yl]methyl]propane-1,2-diamine (2S)-2-phenyl-N1-[[(2R)-tetrahyd…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.07 | 5.02 | -40.35 | 4 | 3 | 1 | 52 | 249.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.1 | -38.51 | 4 | 3 | 1 | 49 | 249.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 3.88 | -2.23 | 3 | 3 | 0 | 47 | 248.37 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 5.26 | -125.39 | 5 | 3 | 2 | 53 | 250.386 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
